General Information of the Compound
| Compound ID |
CP0407948
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33ClN2O
|
||||||||||||||||||
| Molecular Weight |
461.049
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2c(Cl)cccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33ClN2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(33-3)29-24(31-25)13-8-14-26(29)32-16-15-22-21(18-32)11-7-12-23(22)30/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKDZODIIQJVFAD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound